SCHEMBL13705649

SCHEMBL13705649

CCCCCC(OC(=O)C(C)(C)C)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.43
PRSS1 P07477 2/20 0.38
CTSG P08311 2/20 0.38
CTRB1 P17538 2/20 0.38
CMA1 P23946 2/20 0.38
CA2 P00918 1/20 0.37
GPR84 Q9NQS5 3/20 0.35
CA1 P00915 2/20 0.35
FFAR1 O14842 1/20 0.35
PRKCA P17252 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
MAPT P10636 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
FAAH O00519 2/20 0.34
GRIK1 P39086 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13705644 0.87 PRKCA (0.38) PRKCA
SCHEMBL16591104 0.81 CA2 (0.36) SMPD1PRSS1CTSGCTRB1CMA1
SCHEMBL28252014 0.79 SMPD1 (0.47) SMPD1PRSS1CTSGCTRB1CMA1
SCHEMBL29707916 0.77 PRKCA (0.46) PRSS1CTSGCTRB1CMA1CA2
SCHEMBL29707920 0.77 PRKCA (0.46) PRSS1CTSGCTRB1CMA1CA2
SCHEMBL29707924 0.77 PRKCA (0.46) PRSS1CTSGCTRB1CMA1CA2
SCHEMBL29707923 0.77 PRKCA (0.46) PRSS1CTSGCTRB1CMA1CA2
SCHEMBL29707922 0.77 PRKCA (0.46) PRSS1CTSGCTRB1CMA1CA2
SCHEMBL594327 0.77 PRKCA (0.46) PRSS1CTSGCTRB1CMA1CA2
SCHEMBL29707919 0.77 PRKCA (0.46) PRSS1CTSGCTRB1CMA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2100907-A1 RESIN COMPOSITION FOR PRINTING PLATE Asahi Kasei Chemicals Corporation (JP) 2009-09-16 EP disclosed